N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline

C54H44N2O2 — CID 59408569

IUPACN-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(N(C=C(c4ccccc4)c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H44N2O2/c1-57-51-35-31-49(32-36-51)55(39-53(43-15-7-3-8-16-43)44-17-9-4-10-18-44)47-27-23-41(24-28-47)42-25-29-48(30-26-42)56(50-33-37-52(58-2)38-34-50)40-54(45-19-11-5-12-20-45)46-21-13-6-14-22-46/h3-40H,1-2H3
InChIKeyJTXXIHKLNLGURQ-UHFFFAOYSA-N
MW752.96 g/mol
LogP13.83
Rot. Bonds13

About N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline

N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline (PubChem CID 59408569) has the molecular formula C54H44N2O2 and a molecular weight of 752.96 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
PubChem CID59408569
Molecular FormulaC54H44N2O2
Molecular Weight752.96 g/mol
Exact Mass752.34
IUPAC NameN-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(N(C=C(c4ccccc4)c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H44N2O2/c1-57-51-35-31-49(32-36-51)55(39-53(43-15-7-3-8-16-43)44-17-9-4-10-18-44)47-27-23-41(24-28-47)42-25-29-48(30-26-42)56(50-33-37-52(58-2)38-34-50)40-54(45-19-11-5-12-20-45)46-21-13-6-14-22-46/h3-40H,1-2H3
InChIKeyJTXXIHKLNLGURQ-UHFFFAOYSA-N
XLogP13.83
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-bis(4-methylphenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517965
N-[2,2-bis(4-chlorophenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517949
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[2,2-bis(4-methylphenyl)ethenyl]-N-(4-methoxyphenyl)aniline
CID 59086916
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
CID 59408570
N-[2,2-bis(4-methylphenyl)ethenyl]-4-ethyl-N-(4-ethylphenyl)aniline;N-[2,2-bis(4-methylphenyl)ethenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 158670691
4-[2-[4-[2-[4-[N,4-bis(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]-N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]aniline
CID 76826398
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline?
The IUPAC name of N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline (CID 59408569) is N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline?
The canonical SMILES for N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline is COc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(N(C=C(c4ccccc4)c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline?
The InChIKey is JTXXIHKLNLGURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2O2/c1-57-51-35-31-49(32-36-51)55(39-53(43-15-7-3-8-16-43)44-17-9-4-10-18-44)47-27-23-41(24-28-47)42-25-29-48(30-26-42)56(50-33-37-52(58-2)38-34-50)40-54(45-19-11-5-12-20-45)46-21-13-6-14-22-46/h3-40H,1-2H3.
What are the key properties of N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline?
N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline has a molecular weight of 752.96 g/mol, XLogP of 13.83, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 59408569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).